In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 19 | No |
Popular Name: 4-[[(1-propyl-4-piperidyl)amino]methyl]benzene-1,2-diol 4-[[(1-propyl-4-piperidyl)amino]…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.83 | 2.78 | -39.62 | 4 | 4 | 1 | 57 | 265.377 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 2.52 | -71.41 | 3 | 4 | 0 | 63 | 264.369 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 2.68 | -53.09 | 3 | 4 | 0 | 63 | 264.369 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 1.73 | -48.32 | 4 | 4 | 1 | 60 | 265.377 | 5 | ↓ |